1-(cyclohexylmethyl)piperidine;ethane;ethanol

C16H35NO — CID 143571293

IUPAC1-(cyclohexylmethyl)piperidine;ethane;ethanol
SMILESC1CCC(CN2CCCCC2)CC1.CC.CCO
InChIInChI=1S/C12H23N.C2H6O.C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-3;1-2/h12H,1-11H2;3H,2H2,1H3;1-2H3
InChIKeyVFXXZSRXRWGUPA-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.08
Rot. Bonds2

About 1-(cyclohexylmethyl)piperidine;ethane;ethanol

1-(cyclohexylmethyl)piperidine;ethane;ethanol (PubChem CID 143571293) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)piperidine;ethane;ethanol.

Molecular Properties

Compound Name1-(cyclohexylmethyl)piperidine;ethane;ethanol
PubChem CID143571293
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC Name1-(cyclohexylmethyl)piperidine;ethane;ethanol
SMILESC1CCC(CN2CCCCC2)CC1.CC.CCO
InChIInChI=1S/C12H23N.C2H6O.C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-3;1-2/h12H,1-11H2;3H,2H2,1H3;1-2H3
InChIKeyVFXXZSRXRWGUPA-UHFFFAOYSA-N
XLogP4.08
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-[(4-methylcyclohexyl)methyl]piperidine
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[(3R)-1-(cyclooctylmethyl)piperidin-3-yl]methanol
CID 91565820
[1-(cyclohexylmethyl)piperidin-3-yl]methanol
CID 3488104
1-(cyclopentylmethyl)-4-propan-2-ylpiperidine
CID 142532061
1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]-2-methylpropan-2-ol
CID 99639323
1-(cyclobutylmethyl)-4-propan-2-ylpiperidine;ethane
CID 170608342
1-(cyclohexylmethyl)-4-[(2Z,4E)-4-methylhexa-2,4-dien-3-yl]piperidine
CID 142354921
4-(cyclohexylmethyl)morpholine
CID 641545

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)piperidine;ethane;ethanol?
The IUPAC name of 1-(cyclohexylmethyl)piperidine;ethane;ethanol (CID 143571293) is 1-(cyclohexylmethyl)piperidine;ethane;ethanol.
What is the SMILES notation for 1-(cyclohexylmethyl)piperidine;ethane;ethanol?
The canonical SMILES for 1-(cyclohexylmethyl)piperidine;ethane;ethanol is C1CCC(CN2CCCCC2)CC1.CC.CCO.
What is the InChIKey of 1-(cyclohexylmethyl)piperidine;ethane;ethanol?
The InChIKey is VFXXZSRXRWGUPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.C2H6O.C2H6/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13;1-2-3;1-2/h12H,1-11H2;3H,2H2,1H3;1-2H3.
What are the key properties of 1-(cyclohexylmethyl)piperidine;ethane;ethanol?
1-(cyclohexylmethyl)piperidine;ethane;ethanol has a molecular weight of 257.46 g/mol, XLogP of 4.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)piperidine;ethane;ethanol is sourced from PubChem (CID 143571293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).